C16H25N2O5ClS | Cheminformatics

2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(3-propan-2-yloxypropyl)acetamide

Formula:C16H25N2O5ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(3-propan-2-yloxypropyl)acetamide is a drug-like molecule.

MolName2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(3-propan-2-yloxypropyl)acetamide
MolecularFormulaC16H25N2O5ClS
SmilesCC(C)OCCCNC(CN(C)S(c(cc1)cc(Cl)c1OC)(=O)=O)=O
InChIInChI=1S/C16H25ClN2O5S/c1-12(2)24-9-5-8-18-16(20)11-19(3)25(21,22)13-6-7-15(23-4)14(17)10-13/h6-7,10,12H,5,8-9,11H2,1-4H3,(H,18,20)
InChIKWZYRRWWQIRBHQF-UHFFFAOYSA-N
TotalMolweight392.903
Molweight392.903
MonoisotopicMass392.11727
CLogP1.6254
CLogS-2.145
H Acceptors7
H Donors1
TotalSurfaceArea293.35
Relative PSA0.26122
PolarSurfaceArea93.32
Druglikeness4.6745
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.68
Fragments1
Non HAtoms25
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond9
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms12
Symmetricatoms2
Amides2
StereoCon

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